Related papers: Electrically Benign Defect Behavior in Zinc Tin Ni…
The family of anisotropic two-dimensional (2D) emerging materials is rapidly evolving due to their low crystal symmetry and in-plane structural anisotropy. Among these, 2D tin sulfide (SnS) has gained significant attention because of its…
The nitride semiconductor materials GaN, AlN, and InN, and their alloys and heterostructures have been investigated extensively in the last 3 decades, leading to several technologically successful photonic and electronic devices. Just over…
Thin-film solar cells based on kesterite (Cu2ZnSnSe4) material are a promising alternative for photovoltaic devices due to their composition consisting of earth abundant elements, ease of production at a relatively low temperatures and…
Electride materials offer attractive physical properties due to their loosely bound electrons. Ca2N, an electride in the two-dimensional (2D) form was successfully recently synthesized. We conducted extensive first-principles calculations…
Epitaxially grown nanowires have shown promise for photovoltaic applications due to their nanophotonic properties. Moreover, the mechanical properties of nanowires can reduce crystallographic defect formation at interfaces to help enable…
We report the application of a coordination polymer semiconductor, tin(II) thiocyanate [Sn(SCN)$_2$] as an ultrathin anode interlayer in organic photovoltaics (OPVs). Sub-10 nm layers of Sn(SCN)$_2$ with high smoothness and excellent…
We develop a practical first-principles methodology to determine nonradiative carrier capture coefficients at defects in semiconductors. We consider transitions that occur via multiphonon emission. Parameters in the theory, including…
We have investigated the structural stability of a binary compound TiSn in the zincblende symmetry. The phonon dispersion studies confirms that, TiSn with a nominal composition of 1:1 can exist in zincblende form. No imaginary frequencies…
The generation and manipulation of non-classical states of light is central to quantum technologies. Color centers in insulators have been extensively studied for single-photon generation, but organic molecules immobilized on substrates…
We report on the fabrication of two-dimensional periodic photonic nanostructures by nanoimprint lithography and dry etching, and their integration into a 1-{\mu}m-thin mono-crystalline silicon solar cell. Thanks to the periodic…
Zinc phosphorus trisulfide (ZnPS$_3$), a promising material for photocatalysis and energy storage, is shown in this study to exhibit remarkable stability under extreme conditions. We explore its optical and structural properties under high…
Zinc-air batteries offer large specific energy densities, while relying on abundant and non-toxic materials. In this paper, we present the first multi-dimensional simulations of zinc-air batteries. We refine our existing theory-based model…
Transition metal nitrides are a fascinating class of hard coating material that provide an excellent platform for investigating superconductivity and fundamental electron phonon interactions. In this work the structural morphological and…
Tin fluoride (SnF2) is an indispensable additive for high-efficiency Pb-Sn perovskite solar cells (PSCs). However, the spatial distribution of SnF2 in the perovskite absorber is seldom investigated while essential for a comprehensive…
Titanium nitride is a material of interest for many superconducting devices such as nanowire microwave resonators and photon detectors. Thus, controlling the growth of TiN thin films with desirable properties is of high importance. In…
Titanium nitride halides, TiNX (X = F, Cl, Br, I) in the {\alpha}-phase (orthorhombic) are exciting quasi two-dimensional (2D) electronic systems exhibiting a fascinating series of electronic ground states under different conditions.…
In this work, a reversible control over the visible luminescence of phosphor ZnO is achieved by the application of a few volts (<5V) to nanostructured ZnO film sandwiched between ITO and LiClO4/PEO solid electrolyte. Since ZnO is a good…
Colloidal zinc oxide (ZnO) nanoparticles are frequently used in the field of organic photovoltaics for the realization of solution-producible, electron-selective interfacial layers. Despite of the widespread use, there is a lack of detailed…
ZnO/GaN alloys exhibit exceptional photocatalyst applications owing to the flexibly tunable band gaps that cover a wide range of the solar spectrum, and thus have attracted extensive attentions over the past few years. In this study,…
The optical, elastic anisotropic and thermodynamic properties of TiN in the NaCl (B1) structure are analyzed in detail in the temperature range from 0 to 2000 K and the pressure range from 0 to 20 GPa. From the calculated dielectric…